program

Implementation level

Type

Status

CML extraction template

image1

HTML5 representation

image2
Template attributes

Attribute

Value

source

Turbomole log

repeat

*

id

program

name

Program version and runtime

pattern

\s*\w*\s*\(.*\)\s*\:\s*TURBOMOLE.*

endPattern

\s*Copyright.*

endOffset

4

xml:base

program.version.xml

Input

statpt(maginet-iv108) : TURBOMOLE V6.3 7 Feb 2011 at 15:58:30
Copyright (C) 2011 TURBOMOLE GmbH, Karlsruhe


2011-12-15 08:13:20.786

Input

relax(maginet-ii146) : TURBOMOLE V5-8-0 24 Nov 2005 at 22:47:17
Copyright (C) 2005 University of Karlsruhe


2010-12-23 03:10:52.701

Input

grad (p1052) : TURBOMOLE rev. V7.4.1 (b987a8a8) compiled 15 Oct 2019 at 12:10:21
Copyright (C) 2019 TURBOMOLE GmbH, Karlsruhe


2020-05-19 20:44:46.639

Output text

1<comment class="example.output" id="program2">
2 ridft (maginet165) : TURBOMOLE V6.6( 19134 ) 3 Jun 2014 at 14:53:30
3 Copyright (C) 2014 TURBOMOLE GmbH, Karlsruhe
4
5
6 2015-02-13 10:10:20.395
7  </comment>

Output text

 1<comment class="example.output" id="program">
 2      <module cmlx:templateRef="program">
 3            <list cmlx:templateRef="prog">
 4               <scalar dataType="xsd:string" dictRef="t:module">statpt</scalar>
 5               <scalar dataType="xsd:string" dictRef="cc:hostname">maginet-iv108</scalar>
 6               <scalar dataType="xsd:string" dictRef="cc:program">TURBOMOLE</scalar>
 7               <scalar dataType="xsd:string" dictRef="cc:programDate">7 Feb 2011 at 15:58:30</scalar>
 8               <scalar dataType="xsd:string" dictRef="cc:programVersion" id="programVersion">6.3</scalar>
 9            </list>
10            <scalar dataType="xsd:date" dictRef="cc:date">2011-12-15T08:13:20.786+01:00</scalar>
11      </module>
12  </comment>

Output text

 1<comment class="example.output" id="program2">
 2      <module cmlx:templateRef="program">
 3          <list cmlx:templateRef="prog">
 4             <scalar dataType="xsd:string" dictRef="t:module">ridft</scalar>
 5             <scalar dataType="xsd:string" dictRef="cc:hostname">maginet165</scalar>
 6             <scalar dataType="xsd:string" dictRef="cc:program">TURBOMOLE</scalar>
 7             <scalar dataType="xsd:string" dictRef="cc:programDate">3 Jun 2014 at 14:53:30</scalar>
 8             <scalar dataType="xsd:string" dictRef="cc:programVersion" id="programVersion">6.6</scalar>
 9          </list>
10          <scalar dataType="xsd:date" dictRef="cc:date">2015-02-13T10:10:20.395+01:00</scalar>
11      </module>
12  </comment>

Output text

 1<comment class="example.output" id="program3">
 2    <module cmlx:templateRef="program">
 3       <list cmlx:templateRef="prog">
 4          <scalar dataType="xsd:string" dictRef="t:module">relax</scalar>
 5          <scalar dataType="xsd:string" dictRef="cc:hostname">maginet-ii146</scalar>
 6          <scalar dataType="xsd:string" dictRef="cc:program">TURBOMOLE</scalar>
 7          <scalar dataType="xsd:string" dictRef="cc:programVersion">5-8-0</scalar>
 8          <scalar dataType="xsd:string" dictRef="cc:programDate">24 Nov 2005 at 22:47:17</scalar>
 9       </list>
10       <scalar dataType="xsd:date" dictRef="cc:date">2010-12-23T03:10:52.701+01:00</scalar>
11     </module>
12  </comment>

Output text

 1<comment class="example.output" id="program4">
 2    <module cmlx:templateRef="program">
 3        <list cmlx:templateRef="prog">
 4           <scalar dataType="xsd:string" dictRef="t:module">grad</scalar>
 5           <scalar dataType="xsd:string" dictRef="cc:hostname">p1052</scalar>
 6           <scalar dataType="xsd:string" dictRef="cc:program">TURBOMOLE</scalar>
 7           <scalar dataType="xsd:string" dictRef="cc:programDate">15 Oct 2019 at 12:10:21</scalar>
 8           <scalar dataType="xsd:string" dictRef="cc:programVersion" id="programVersion">7.4.1</scalar>
 9        </list>
10        <scalar dataType="xsd:date" dictRef="cc:date">2020-05-19T20:44:46.639+02:00</scalar>
11    </module>
12  </comment>

Template definition

1<templateList>  <template name="previous60" pattern="\s*\w*\s*\(.*\)\s*\:\s*TURBOMOLE\s+V\d+-\d+.*" endPattern="~">    <record id="prog">\s*{A,t:module}\({X,cc:hostname}\)\s*:\s*{A,cc:program}\s*V{A,cc:programVersion}\s+{X,cc:programDate}</record>    <record repeat="3" />    <record id="runtime">{X,cc:date}</record>    <transform process="pullup" xpath=".//cml:scalar" />    <transform process="delete" xpath=".//cml:list[count(*)=0]" />    <transform process="delete" xpath=".//cml:list[count(*)=0]" />    <transform process="createDate" xpath=".//cml:scalar[@dictRef='cc:date']" format="yyyy-MM-dd HH:mm:ss.SSS" />
2    </template>  <template name="previous74" pattern="\s*\w*\s*\(.*\)\s*\:\s*TURBOMOLE\s*(?:rev\.)?\s*V\d+\.\d+[\(|\s)].*" endPattern="~">    <record id="prog">\s*{A,t:module}\({X,cc:hostname}\)\s*:\s*{A,cc:program}\s*(?:rev\.)?\s*V{I,x:programVersionMajor}\.{I,x:programVersionMinor}((\(\s*\S+\s*\))|\s)?(?:\s*compiled\s*)?{X,cc:programDate}</record>    <record repeat="3" />    <record id="runtime">{X,cc:date}</record>    <transform process="pullup" xpath=".//cml:scalar" />    <transform process="delete" xpath=".//cml:list[count(*)=0]" />    <transform process="delete" xpath=".//cml:list[count(*)=0]" />    <transform process="createDate" xpath=".//cml:scalar[@dictRef='cc:date']" format="yyyy-MM-dd HH:mm:ss.SSS" />    <transform process="addChild" xpath="." elementName="cml:scalar" id="programVersion" value="$string(concat(.//cml:scalar[@dictRef='x:programVersionMajor']/text(),'.',.//cml:scalar[@dictRef='x:programVersionMinor']/text()))" />    <transform process="delete" xpath=".//cml:scalar[@dictRef='x:programVersionMajor']" />    <transform process="delete" xpath=".//cml:scalar[@dictRef='x:programVersionMinor']" />    <transform process="moveRelative" xpath=".//cml:scalar[@id='programVersion']" to="./ancestor::*/cml:list[@cmlx:templateRef='prog']" />    <transform process="addAttribute" xpath=".//cml:scalar[@id='programVersion']" name="dataType" value="xsd:string" />    <transform process="addDictRef" xpath=".//cml:scalar[@id='programVersion']" value="cc:programVersion" />
3
4    </template>  <template name="after74" pattern="\s*\w*\s*\(.*\)\s*\:\s*TURBOMOLE\s*(?:rev\.)?\s*V\d+\.\d+\.\d+[\(|\s)].*" endPattern="~">    <record id="prog">\s*{A,t:module}\({X,cc:hostname}\)\s*:\s*{A,cc:program}\s*(?:rev\.)?\s*V{I,x:programVersionMajor}\.{I,x:programVersionMinor}\.{I,x:programVersionBug}(?:(\(\s*\S+\s*\))|\s)(?:\s*compiled)?{X,cc:programDate}</record>    <record repeat="3" />    <record id="runtime">{X,cc:date}</record>    <transform process="pullup" xpath=".//cml:scalar" />    <transform process="delete" xpath=".//cml:list[count(*)=0]" />    <transform process="delete" xpath=".//cml:list[count(*)=0]" />    <transform process="createDate" xpath=".//cml:scalar[@dictRef='cc:date']" format="yyyy-MM-dd HH:mm:ss.SSS" />    <transform process="addChild" xpath="." elementName="cml:scalar" id="programVersion" value="$string(concat(.//cml:scalar[@dictRef='x:programVersionMajor']/text(),'.',.//cml:scalar[@dictRef='x:programVersionMinor']/text(),'.',.//cml:scalar[@dictRef='x:programVersionBug']/text()))" />    <transform process="delete" xpath=".//cml:scalar[@dictRef='x:programVersionMajor']" />    <transform process="delete" xpath=".//cml:scalar[@dictRef='x:programVersionMinor']" />    <transform process="delete" xpath=".//cml:scalar[@dictRef='x:programVersionBug']" />    <transform process="moveRelative" xpath=".//cml:scalar[@id='programVersion']" to="./ancestor::*/cml:list[@cmlx:templateRef='prog']" />    <transform process="addAttribute" xpath=".//cml:scalar[@id='programVersion']" name="dataType" value="xsd:string" />    <transform process="addDictRef" xpath=".//cml:scalar[@id='programVersion']" value="cc:programVersion" />
5    </template>
6  </templateList>
7<transform process="pullup" xpath=".//cml:list[@cmlx:templateRef='prog']" />
8<transform process="pullup" xpath=".//cml:scalar[@dictRef='cc:date']" />